N-(3-Nitrophenyl)piperidine-3-carboxamide supplier

Name
PIPERIDINE-3-CARBOXYLIC ACID (3-NITRO-PHENYL)-AMIDE
EINECS
CAS No. 775282-63-8
Density 1.292 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅N₃O₃
Boiling Point 471.4 °C at 760 mmHg
Molecular Weight 249.27
Flash Point 238.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms PIPERIDINE-3-CARBOXYLIC ACID (3-NITRO-PHENYL)-AMIDE;3-Piperidinecarboxamide,N-(3-nitrophenyl)-(9CI);N-(3-Nitrophenyl)piperidine-3-carboxamide
PSA 86.95000
LogP 2.45790

N-(3-Nitrophenyl)piperidine-3-carboxamide Specification

The systematic name of this chemical is N-(3-nitrophenyl)piperidine-3-carboxamide. With the CAS registry number 775282-63-8, it is also named as 3-piperidinecarboxamide, N-(3-nitrophenyl)-. The product's category is Amide. The formula is C₁₂H₁₅N₃O₃ and molecular weight is 249.27.

The other characteristics of N-(3-Nitrophenyl)piperidine-3-carboxamide can be summarized as: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 86.95 Å²; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 66.7 cm³; (13)Molar Volume: 192.9 cm³; (14)Polarizability: 26.44×10^-24 cm³; (15)Surface Tension: 57.5 dyne/cm; (16)Density: 1.292 g/cm³; (17)Flash Point: 238.9 °C; (18)Enthalpy of Vaporization: 73.41 kJ/mol; (19)Boiling Point: 471.4 °C at 760 mmHg; (20)Vapour Pressure: 4.68E-09 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:c1cc(cc(c1)[N+](=O)[O-])NC(=O)C2CCCNC2
2. InChI:InChI=1/C12H15N3O3/c16-12(9-3-2-6-13-8-9)14-10-4-1-5-11(7-10)15(17)18/h1,4-5,7,9,13H,2-3,6,8H2,(H,14,16)
3. InChIKey:NYXDOHMIYFVMKI-UHFFFAOYAB
4. Std. InChI:InChI=1S/C12H15N3O3/c16-12(9-3-2-6-13-8-9)14-10-4-1-5-11(7-10)15(17)18/h1,4-5,7,9,13H,2-3,6,8H2,(H,14,16)
5. Std. InChIKey:NYXDOHMIYFVMKI-UHFFFAOYSA-N

Product Name

PIPERIDINE-3-CARBOXYLIC ACID (3-NITRO-PHENYL)-AMIDE

N-(3-Nitrophenyl)piperidine-3-carboxamide Specification

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